BDBM50227990 (6S,7S)-6-[4-(4-cyano-3,5-dimethyl-phenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-aza-spiro[2.5]octane-7-carboxylic acid hydroxyamide::CHEMBL403380

SMILES: Cc1cc(cc(C)c1C#N)C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO

InChI Key: InChIKey=JLFCWOIZNQXZMP-ICSRJNTNSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50227990   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50227990 ((6S,7S)-6-[4-(4-cyano-3,5-dimethyl-phenyl)-3,6-dih...) Show SMILES Cc1cc(cc(C)c1C#N)C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO |t:11| Show InChI InChI=1S/C23H28N4O3/c1-14-9-17(10-15(2)19(14)12-24)16-3-7-27(8-4-16)22(29)20-18(21(28)26-30)11-23(5-6-23)13-25-20/h3,9-10,18,20,25,30H,4-8,11,13H2,1-2H3,(H,26,28)/t18-,20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Binding affinity to ADAM10				Bioorg Med Chem Lett 18: 159-63 (2008) Article DOI: 10.1016/j.bmcl.2007.10.108 BindingDB Entry DOI: 10.7270/Q2GM8720
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50227990 ((6S,7S)-6-[4-(4-cyano-3,5-dimethyl-phenyl)-3,6-dih...) Show SMILES Cc1cc(cc(C)c1C#N)C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO |t:11| Show InChI InChI=1S/C23H28N4O3/c1-14-9-17(10-15(2)19(14)12-24)16-3-7-27(8-4-16)22(29)20-18(21(28)26-30)11-23(5-6-23)13-25-20/h3,9-10,18,20,25,30H,4-8,11,13H2,1-2H3,(H,26,28)/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Binding affinity to MMP9				Bioorg Med Chem Lett 18: 159-63 (2008) Article DOI: 10.1016/j.bmcl.2007.10.108 BindingDB Entry DOI: 10.7270/Q2GM8720
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10) (Homo sapiens (Human))	BDBM50227990 ((6S,7S)-6-[4-(4-cyano-3,5-dimethyl-phenyl)-3,6-dih...) Show SMILES Cc1cc(cc(C)c1C#N)C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO |t:11| Show InChI InChI=1S/C23H28N4O3/c1-14-9-17(10-15(2)19(14)12-24)16-3-7-27(8-4-16)22(29)20-18(21(28)26-30)11-23(5-6-23)13-25-20/h3,9-10,18,20,25,30H,4-8,11,13H2,1-2H3,(H,26,28)/t18-,20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	129	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Inhibition of HER2 sheddase in BT474 cells by extracellular domain shedding assay				Bioorg Med Chem Lett 18: 159-63 (2008) Article DOI: 10.1016/j.bmcl.2007.10.108 BindingDB Entry DOI: 10.7270/Q2GM8720
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50227990 ((6S,7S)-6-[4-(4-cyano-3,5-dimethyl-phenyl)-3,6-dih...) Show SMILES Cc1cc(cc(C)c1C#N)C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO |t:11| Show InChI InChI=1S/C23H28N4O3/c1-14-9-17(10-15(2)19(14)12-24)16-3-7-27(8-4-16)22(29)20-18(21(28)26-30)11-23(5-6-23)13-25-20/h3,9-10,18,20,25,30H,4-8,11,13H2,1-2H3,(H,26,28)/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Binding affinity to MMP3				Bioorg Med Chem Lett 18: 159-63 (2008) Article DOI: 10.1016/j.bmcl.2007.10.108 BindingDB Entry DOI: 10.7270/Q2GM8720
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50227990 ((6S,7S)-6-[4-(4-cyano-3,5-dimethyl-phenyl)-3,6-dih...) Show SMILES Cc1cc(cc(C)c1C#N)C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO |t:11| Show InChI InChI=1S/C23H28N4O3/c1-14-9-17(10-15(2)19(14)12-24)16-3-7-27(8-4-16)22(29)20-18(21(28)26-30)11-23(5-6-23)13-25-20/h3,9-10,18,20,25,30H,4-8,11,13H2,1-2H3,(H,26,28)/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Binding affinity to MMP1				Bioorg Med Chem Lett 18: 159-63 (2008) Article DOI: 10.1016/j.bmcl.2007.10.108 BindingDB Entry DOI: 10.7270/Q2GM8720
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50227990 ((6S,7S)-6-[4-(4-cyano-3,5-dimethyl-phenyl)-3,6-dih...) Show SMILES Cc1cc(cc(C)c1C#N)C1=CCN(CC1)C(=O)[C@H]1NCC2(CC2)C[C@@H]1C(=O)NO |t:11| Show InChI InChI=1S/C23H28N4O3/c1-14-9-17(10-15(2)19(14)12-24)16-3-7-27(8-4-16)22(29)20-18(21(28)26-30)11-23(5-6-23)13-25-20/h3,9-10,18,20,25,30H,4-8,11,13H2,1-2H3,(H,26,28)/t18-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation Curated by ChEMBL					Assay Description Binding affinity to MMP2				Bioorg Med Chem Lett 18: 159-63 (2008) Article DOI: 10.1016/j.bmcl.2007.10.108 BindingDB Entry DOI: 10.7270/Q2GM8720
					More data for this Ligand-Target Pair